4-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one
| Internal ID | e4707ee0-5251-4bc6-96fc-c07d58c0bde6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 4-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O |
| InChI | InChI=1S/C25H28O15/c1-36-13-2-8-12(4-9(13)27)39-21-15(17(8)30)10(28)3-11(29)16(21)22-20(33)19(32)18(31)14(40-22)5-37-24-23(34)25(35,6-26)7-38-24/h2-4,14,18-20,22-24,26-29,31-35H,5-7H2,1H3 |
| InChI Key | SFAJHJBOZNPSJH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O15 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.14282018 g/mol |
| Topological Polar Surface Area (TPSA) | 245.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of 4-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/021350e0-855d-11ee-857f-51678eea0620.jpg "2D Structure of 4-[6-[[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.80% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.64% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.72% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.25% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.68% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.60% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.88% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.84% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.64% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.98% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.51% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.38% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.01% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.82% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.66% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.33% | 95.93% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.04% | 93.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.98% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.87% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.81% | 86.92% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.43% | 89.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.91% | 95.83% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.59% | 94.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Polygala tenuifolia |
| PubChem | 85110919 |
| LOTUS | LTS0209064 |
| wikiData | Q105251643 |